1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-2-(2-methoxyphenyl)imidazol-4-yl]methyl]methanamine; (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-2-(2-methoxyphenyl)imidazol-4-yl]methyl]methanamine; (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-2-(2-methoxyphenyl)imidazol-4-yl]methyl]methanamine; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-2-(2-methoxyphenyl)-4-imidazolyl]methyl]methanamine; (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-2-(2-methoxyphenyl)imidazol-4-yl]methyl]methanamine; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Traditional Name: [3-butyl-2-(2-methoxyphenyl)imidazol-4-yl]methyl-dipiperonyl-amine; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid Formula: C51H55N11O10 MolecularWeight: 982.0501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1C2=CC=CC=C2OC)CN(CC3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)OCO6.CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCCN1C(=CN=C1C2=CC=CC=C2OC)CN(CC3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)OCO6.CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C31H33N3O5.C20H22N8O5/c1-3-4-13-34-24(16-32-31(34)25-7-5-6-8-26(25)35-2)19-33(17-22-9-11-27-29(14-22)38-20-36-27)18-23-10-12-28-30(15-23)39-21-37-28;1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h5-12,14-16H,3-4,13,17-21H2,1-2H3;2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t;13-/m.0/s1